4-morpholin-2-ylaniline

C10H14N2O — CID 19900974

IUPAC4-morpholin-2-ylaniline
SMILESNc1ccc(C2CNCCO2)cc1
InChIInChI=1S/C10H14N2O/c11-9-3-1-8(2-4-9)10-7-12-5-6-13-10/h1-4,10,12H,5-7,11H2
InChIKeyGXWFKPDLDBPQEW-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.93
Rot. Bonds1

About 4-morpholin-2-ylaniline

4-morpholin-2-ylaniline (PubChem CID 19900974) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-morpholin-2-ylaniline.

Molecular Properties

Compound Name4-morpholin-2-ylaniline
PubChem CID19900974
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name4-morpholin-2-ylaniline
SMILESNc1ccc(C2CNCCO2)cc1
InChIInChI=1S/C10H14N2O/c11-9-3-1-8(2-4-9)10-7-12-5-6-13-10/h1-4,10,12H,5-7,11H2
InChIKeyGXWFKPDLDBPQEW-UHFFFAOYSA-N
XLogP0.93
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-2-ylaniline?
The IUPAC name of 4-morpholin-2-ylaniline (CID 19900974) is 4-morpholin-2-ylaniline.
What is the SMILES notation for 4-morpholin-2-ylaniline?
The canonical SMILES for 4-morpholin-2-ylaniline is Nc1ccc(C2CNCCO2)cc1.
What is the InChIKey of 4-morpholin-2-ylaniline?
The InChIKey is GXWFKPDLDBPQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c11-9-3-1-8(2-4-9)10-7-12-5-6-13-10/h1-4,10,12H,5-7,11H2.
What are the key properties of 4-morpholin-2-ylaniline?
4-morpholin-2-ylaniline has a molecular weight of 178.24 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-2-ylaniline is sourced from PubChem (CID 19900974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).